>compound 3-Hydroxy-DL-kynurenine_3-Hydroxy-DL-kynurenine
#instrument UPLC Q-Tof Premier, Waters
>formula C10H12N2O4
#smiles OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1
#RECORD LC-ESI-QTOF_train_data/PR100530.txt;LC-ESI-QTOF_train_data/PR100096.txt;LC-ESI-QTOF_train_data/PR100097.txt
>charge -1
>ionization [M-H]-
>parentmass 223.0719

>collision 5-60
108.0652 3.588
134.0891 6.048
144.073 6.092
147.0609 18.65
160.0722 8.628
160.8744 5.848
162.0872 25.13
162.8725 7.974
164.8728 4.788
188.0709 6.224
197.8502 3.933
206.0879 15.98
223.0719 5.043

>collision 5-60
208.0697 8.536
224.0759 9.778
225.0875 73.61

>collision 30
110.0706 1.827
136.047 1.293
152.0892 2.848
208.0777 3.698
208.9568 2.06
209.0499 9.453
224.7446 1.312
224.9298 1.287
224.9783 2.093
224.9984 1.512
225.0875 14.16

